| Index | Thermo H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K) | Structure | Label | SMILES | MW (g/mol) |
|
10. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
52.10
|
27.39
|
4.97 |
4.97 |
4.97 |
4.97 |
|
.png) |
H(10) |
[H] |
1.01 |
|
11. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
59.56
|
38.46
|
4.97 |
4.97 |
4.97 |
4.97 |
|
.png) |
O(11) |
[O] |
16.00 |
|
12. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
8.90
|
43.90
|
7.15 |
7.06 |
7.35 |
7.87 |
|
.png) |
OH(12) |
[OH] |
17.01 |
|
13. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.00
|
31.21
|
6.92 |
6.97 |
7.21 |
7.73 |
|
.png) |
H2(13) |
[H][H] |
2.02 |
|
14. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-57.80
|
45.10
|
8.03 |
8.42 |
9.85 |
11.27 |
|
.png) |
H2O(14) |
O |
18.02 |
|
15. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.00
|
36.98
|
4.97 |
4.97 |
4.97 |
4.97 |
|
.png) |
Ar(15) |
[Ar] |
39.35 |
|
16. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.00
|
30.12
|
4.97 |
4.97 |
4.97 |
4.97 |
|
.png) |
He(16) |
[He] |
4.00 |
|
17. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
3.00
|
54.75
|
8.34 |
9.46 |
11.35 |
12.49 |
|
.png) |
HO2(17) |
[O]O |
33.01 |
|
18. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-32.53
|
55.65
|
10.41 |
12.34 |
15.17 |
16.86 |
|
.png) |
H2O2(18) |
OO |
34.01 |
|
-1. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.00
|
45.77
|
6.95 |
7.09 |
7.80 |
8.33 |
|
 |
N2 |
N#N |
28.01 |
|
-1. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.00
|
34.97
|
4.97 |
4.97 |
4.97 |
4.97 |
|
 |
Ne |
[Ne] |
20.18 |
|
1. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.89
|
56.34
|
32.98 |
49.80 |
71.88 |
82.16 |
|
.png) |
C7H10(1) |
C1C=CCCCC=1 |
94.15 |
|
2. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.42
|
47.21
|
6.96 |
7.14 |
7.93 |
8.42 |
|
.png) |
CO(2) |
[C-]#[O+] |
28.01 |
|
3. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-94.06
|
51.08
|
8.92 |
10.63 |
12.96 |
13.93 |
|
.png) |
CO2(3) |
O=C=O |
44.01 |
|
4. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-17.83
|
44.54
|
8.55 |
11.11 |
17.62 |
21.62 |
|
.png) |
CH4(4) |
C |
16.04 |
|
5. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
54.54
|
48.01
|
10.55 |
13.08 |
16.23 |
18.14 |
|
.png) |
C2H2(5) |
C#C |
26.04 |
|
6. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
69.02
|
66.24
|
17.20 |
23.81 |
32.68 |
37.26 |
|
.png) |
C4H4(6) |
C#CC=C |
52.07 |
|
7. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
32.50
|
65.50
|
18.23 |
30.03 |
45.39 |
52.67 |
|
.png) |
C5H6(7) |
C1C=CCC=1 |
66.10 |
|
8. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
65.31
|
60.26
|
20.78 |
28.82 |
41.25 |
47.83 |
|
.png) |
C5H5(8) |
[CH]1C=CC=C1 |
65.09 |
|
9. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.00
|
49.00
|
7.02 |
7.43 |
8.36 |
8.71 |
|
.png) |
O2(9) |
[O][O] |
32.00 |
|
56. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
82.47
|
99.00
|
32.09 |
48.24 |
70.42 |
81.55 |
|
.png) |
C7H10(56) |
[CH2]C=CC=CC[CH2] |
94.15 |
|
59. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
40.96
|
72.62
|
25.78 |
43.59 |
69.67 |
81.55 |
|
.png) |
C7H10(59) |
C1=CC2CCCC12 |
94.15 |
|
43. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
48.75
|
72.15
|
22.17 |
46.06 |
66.41 |
79.67 |
|
.png) |
C7H9(43) |
[CH]1C=CCCC=C1 |
93.15 |
|
60. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
31.77
|
74.21
|
26.16 |
50.61 |
73.55 |
87.45 |
|
.png) |
C7H11(60) |
[CH]1C=CCCCC1 |
95.16 |
|
106. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
44.60
|
87.50
|
30.14 |
47.80 |
69.95 |
80.86 |
|
.png) |
C7H10(106) |
C=CC=CC1CC1 |
94.15 |
|
98. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
38.97
|
94.12
|
32.16 |
48.33 |
69.70 |
79.98 |
|
.png) |
C7H10(98) |
C=CC=CCC=C |
94.15 |
|
149. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
36.05
|
73.41
|
39.46 |
57.02 |
78.64 |
87.95 |
|
.png) |
S(149) |
[O]OC1C=CC=CCC1 |
125.15 |
|
150. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
11.43
|
95.09
|
34.16 |
59.95 |
83.38 |
97.11 |
|
.png) |
S(150) |
[O]OC1C=CCCCC1 |
127.16 |
|
57. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
101.70
|
99.58
|
27.96 |
50.47 |
71.96 |
85.04 |
|
.png) |
C7H10(57) |
[C]1CC=CCCC1 |
94.15 |
|
148. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
36.87
|
93.55
|
30.89 |
54.96 |
75.81 |
87.98 |
|
.png) |
S(148) |
[O]OC1C=CCCC=C1 |
125.15 |
|
321. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.43
|
44.09
|
45.00 |
64.68 |
90.56 |
100.47 |
|
.png) |
S(321) |
[CH]1CCCCC2OOC12 |
127.16 |
|
144. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
24.85
|
76.20
|
24.30 |
47.94 |
69.09 |
82.22 |
|
.png) |
C7H10(144) |
C1=CCCC=CC1 |
94.15 |
|
135. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
44.71
|
73.98
|
30.96 |
46.76 |
64.94 |
73.64 |
|
.png) |
C7H8(135) |
C1=CC=CCC=C1 |
92.14 |
|
213. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-24.67
|
94.87
|
36.18 |
63.48 |
88.33 |
102.18 |
|
.png) |
S(213) |
OOC1C=CCCCC1 |
128.17 |
|
142. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
57.52
|
99.20
|
34.17 |
50.70 |
73.36 |
84.26 |
|
.png) |
C7H11(142) |
[CH2]CCC=CC=C |
95.16 |
|
229. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
46.11
|
75.82
|
22.55 |
34.14 |
49.67 |
57.89 |
|
.png) |
C5H7(229) |
[CH2]C=CC=C |
67.11 |
|
33. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.55
|
52.41
|
10.29 |
14.89 |
22.49 |
26.19 |
|
.png) |
C2H4(33) |
C=C |
28.05 |
|
459. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
37.43
|
97.33
|
29.82 |
41.92 |
58.66 |
65.72 |
|
O[O](459).png) |
S(459) |
C=CC(C=C)O[O] |
99.11 |
|
257. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
50.87
|
89.30
|
28.92 |
46.21 |
69.70 |
80.80 |
|
.png) |
C7H10(257) |
C=CCC1C=CC1 |
94.15 |
|
458. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
36.05
|
94.73
|
30.34 |
42.27 |
58.52 |
66.26 |
|
.png) |
S(458) |
C=CC=CCO[O] |
99.11 |
|
338. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
26.64
|
42.61
|
41.47 |
59.80 |
83.17 |
91.13 |
|
.png) |
S(338) |
[CH]1CCC=CC2OOC12 |
125.15 |
|
334. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
54.33
|
90.98
|
28.91 |
54.37 |
74.18 |
85.67 |
|
.png) |
S(334) |
[O]OC1[CH]C=CCC=C1 |
124.14 |
|
433. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.21
|
76.57
|
24.37 |
36.08 |
52.24 |
60.35 |
|
.png) |
C5H8(433) |
C=CC=CC |
68.12 |
|
516. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
57.20
|
114.88
|
47.22 |
68.64 |
99.29 |
113.55 |
|
C(C=C)C=C(516).png) |
S(516) |
C=CC(C=C)C(C=C)C=C |
134.22 |
|
515. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
52.25
|
116.27
|
46.97 |
69.21 |
99.86 |
113.84 |
|
C=C(515).png) |
S(515) |
C=CC=CCC(C=C)C=C |
134.22 |
|
504. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
47.30
|
114.90
|
46.56 |
70.02 |
99.99 |
114.24 |
|
.png) |
S(504) |
C=CC=CCCC=CC=C |
134.22 |
|
373. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
66.50
|
79.12
|
26.02 |
42.34 |
62.68 |
72.27 |
|
.png) |
C7H8(373) |
C1=CC2C=CC2C1 |
92.14 |
|
178. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
56.55
|
82.70
|
26.89 |
45.63 |
69.93 |
81.60 |
|
C1CC1(178).png) |
C7H10(178) |
C1=CC(C1)C1CC1 |
94.15 |
|
322. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.42
|
86.83
|
30.39 |
55.92 |
78.69 |
92.15 |
|
.png) |
S(322) |
[O]C1C=CCCCC1 |
111.16 |
|
988. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
10.57
|
109.66
|
37.20 |
53.79 |
78.21 |
87.90 |
|
.png) |
S(988) |
[CH2]CCCC=CC=O |
111.16 |
|
1006. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-15.75
|
93.66
|
32.08 |
53.15 |
79.47 |
92.64 |
|
.png) |
S(1006) |
[O]C=CC1CCCC1 |
111.16 |
|
1053. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-36.42
|
114.54
|
37.89 |
59.49 |
88.47 |
101.77 |
|
C1CCCC1(1053).png) |
S(1053) |
[O]OC(C=O)C1CCCC1 |
143.16 |
|
1050. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-5.65
|
102.21
|
30.86 |
48.51 |
76.99 |
90.63 |
|
.png) |
S(1050) |
O=CCC1C[CH]CC1 |
111.16 |
|
1177. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-36.62
|
112.04
|
39.46 |
59.54 |
88.46 |
101.73 |
|
C1(1177).png) |
S(1177) |
[O]OC1CCC(CC=O)C1 |
143.16 |
|
1095. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-49.24
|
92.87
|
34.55 |
56.61 |
82.80 |
96.52 |
|
.png) |
S(1095) |
OC=CC1CCCC1 |
112.17 |
|
1156. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.04
|
78.59
|
31.08 |
51.12 |
79.58 |
92.28 |
|
O1(1156).png) |
S(1156) |
[CH]1CC2CCC(C2)O1 |
111.16 |
|
1046. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.03
|
90.40
|
31.27 |
49.59 |
76.07 |
86.14 |
|
.png) |
S(1046) |
O=CC=C1CCCC1 |
110.15 |
|
128. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
58.35
|
72.39
|
22.77 |
45.85 |
65.94 |
78.38 |
|
.png) |
C7H9(128) |
[CH]1C=CCC=CC1 |
93.15 |
|
438. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
38.01
|
93.27
|
30.77 |
55.19 |
75.77 |
88.04 |
|
.png) |
S(438) |
[O]OC1C=CCC=CC1 |
125.15 |
|
986. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
78.85
|
80.17
|
24.57 |
40.93 |
65.89 |
76.84 |
|
.png) |
C7H9(986) |
[CH]1CC2C=CCC12 |
93.15 |
|
1303. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
75.99
|
80.02
|
24.89 |
41.26 |
65.75 |
76.49 |
|
.png) |
C7H9(1303) |
[CH]1CC=CC2CC12 |
93.15 |
|
1304. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
68.29
|
86.38
|
28.68 |
44.13 |
66.59 |
78.02 |
|
.png) |
C7H9(1304) |
[CH2]C1C=CCC=C1 |
93.15 |
|
1364. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
35.69
|
100.02
|
36.18 |
52.76 |
77.09 |
87.83 |
|
.png) |
S(1364) |
[O]OCC1C=CCC=C1 |
125.15 |
|
1379. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
43.93
|
88.16
|
32.34 |
51.07 |
79.30 |
90.05 |
|
.png) |
S(1379) |
[CH]1CC=CC2COOC12 |
125.15 |
|
1315. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
26.64
|
42.61
|
41.47 |
59.80 |
83.17 |
91.13 |
|
.png) |
S(1315) |
[CH]1CC=CC2CC1OO2 |
125.15 |
|
1405. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.41
|
99.80
|
38.16 |
56.30 |
82.05 |
92.85 |
|
.png) |
S(1405) |
OOCC1C=CCC=C1 |
126.15 |
|
1316. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
26.81
|
41.65
|
41.70 |
59.83 |
83.11 |
91.44 |
|
.png) |
S(1316) |
[CH]1CC=CCC2OOC12 |
125.15 |
|
1353. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
41.45
|
80.50
|
27.93 |
43.44 |
66.74 |
76.76 |
|
.png) |
C7H9(1353) |
CC1[CH]C=CC=C1 |
93.15 |
|
1520. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
31.24
|
94.71
|
34.38 |
52.94 |
76.80 |
87.54 |
|
.png) |
S(1520) |
CC1C=CC=CC1O[O] |
125.15 |
|
1521. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
31.31
|
98.63
|
35.89 |
52.96 |
77.28 |
87.55 |
|
O[O](1521).png) |
S(1521) |
CC1C=CC(C=C1)O[O] |
125.15 |
|
1500. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
67.63
|
82.22
|
26.38 |
41.96 |
65.64 |
76.33 |
|
.png) |
C7H9(1500) |
CC1[CH]C2C=CC12 |
93.15 |
|
1488. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
19.80
|
64.24
|
19.50 |
32.56 |
50.02 |
58.43 |
|
.png) |
C6H6(1488) |
c1ccccc1 |
78.11 |
|
23. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
35.06
|
46.36
|
9.20 |
10.75 |
14.09 |
16.25 |
|
.png) |
CH3(23) |
[CH3] |
15.03 |
|
1612. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
2.85
|
62.03
|
12.52 |
16.76 |
23.70 |
26.92 |
|
.png) |
S(1612) |
CO[O] |
47.03 |
|
706. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
30.58
|
72.14
|
20.76 |
33.99 |
52.26 |
61.24 |
|
.png) |
C5H8(706) |
CC1C=CC1 |
68.12 |
|
333. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.23
|
90.76
|
30.93 |
57.90 |
79.13 |
90.74 |
|
.png) |
S(333) |
OOC1[CH]C=CCC=C1 |
125.15 |
|
887. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
59.50
|
111.48
|
43.30 |
67.89 |
99.94 |
115.00 |
|
.png) |
S(887) |
C=CC=CCCC1C=CC1 |
134.22 |
|
1748. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
13.93
|
109.02
|
39.38 |
65.74 |
87.44 |
98.87 |
|
OO(1748).png) |
S(1748) |
[O]OC1C=CC(C=CC1)OO |
157.14 |
|
1747. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
15.07
|
108.74
|
39.27 |
65.97 |
87.40 |
98.92 |
|
.png) |
S(1747) |
[O]OC1C=CCC=CC1OO |
157.14 |
|
446. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.05
|
94.51
|
32.41 |
45.75 |
63.58 |
71.31 |
|
.png) |
S(446) |
C=CC=CCOO |
100.12 |
|
620. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
35.92
|
89.00
|
25.88 |
36.61 |
53.25 |
60.95 |
|
.png) |
C5H7O(620) |
C=CC=CC[O] |
83.11 |
|
1968. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
24.67
|
85.57
|
29.46 |
40.80 |
55.81 |
62.49 |
|
.png) |
S(1968) |
C=C=C[CH]CO |
83.11 |
|
2170. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-1.68
|
105.48
|
34.35 |
46.00 |
61.77 |
69.69 |
|
O[O](2170).png) |
S(2170) |
C=C(C=CCO)O[O] |
115.11 |
|
680. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.04
|
79.02
|
23.46 |
43.57 |
70.01 |
79.84 |
|
.png) |
C7H8O(680) |
C1=CC2OC2C=CC1 |
108.14 |
|
2169. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
9.77
|
107.40
|
35.15 |
47.62 |
63.41 |
70.72 |
|
O[O](2169).png) |
S(2169) |
C=C=CC(CO)O[O] |
115.11 |
|
2268. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.37
|
94.49
|
31.51 |
43.20 |
57.96 |
65.61 |
|
C=CCO(2268).png) |
S(2268) |
C=C([O])C=CCO |
99.11 |
|
2675. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-50.19
|
114.46
|
36.93 |
49.06 |
67.28 |
74.71 |
|
C=CCO(2675).png) |
S(2675) |
[O]OCC(=O)C=CCO |
131.11 |
|
1218. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
72.33
|
110.72
|
35.65 |
51.40 |
74.32 |
84.69 |
|
.png) |
S(1218) |
C=CC=CC[CH]C[O] |
110.15 |
|
2897. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-10.22
|
98.12
|
37.78 |
56.18 |
75.68 |
85.75 |
|
.png) |
S(2897) |
C=CC=CCC=CO |
110.15 |
|
2855. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-51.56
|
108.74
|
33.32 |
50.07 |
70.57 |
78.67 |
|
.png) |
S(2855) |
O=C1COOC1[CH]CO |
131.11 |
|
2541. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-48.80
|
87.45
|
33.24 |
47.16 |
59.57 |
66.85 |
|
C=C[CH]O(2541).png) |
S(2541) |
CC([O])=CC=CO |
99.11 |
|
3151. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-64.95
|
114.63
|
36.65 |
48.91 |
67.05 |
74.19 |
|
C=CC(O)O[O](3151).png) |
S(3151) |
CC(=O)C=CC(O)O[O] |
131.11 |
|
3138. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-54.65
|
92.22
|
27.26 |
38.00 |
54.24 |
59.51 |
|
C=CC=O(3138).png) |
S(3138) |
CC(=O)C=CC=O |
98.10 |
|
1223. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-17.83
|
88.09
|
27.82 |
40.00 |
56.46 |
64.72 |
|
.png) |
S(1223) |
C=CC=CCO |
84.12 |
|
1380. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
35.56
|
94.29
|
31.65 |
47.13 |
71.78 |
82.42 |
|
.png) |
S(1380) |
[O]CC1C=CCC=C1 |
109.15 |
|
1346. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
48.37
|
72.39
|
22.73 |
35.09 |
54.29 |
62.26 |
|
.png) |
C6H7(1346) |
[CH]1C=CC=CC1 |
79.12 |
|
24. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.09
|
52.28
|
8.47 |
10.44 |
14.82 |
16.93 |
|
.png) |
CH2O(24) |
C=O |
30.03 |
|
1547. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
38.16
|
87.97
|
29.18 |
44.60 |
64.35 |
73.05 |
|
.png) |
S(1547) |
[O]OC1C=CC=CC1 |
111.12 |
|
1574. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
38.32
|
93.63
|
29.24 |
44.26 |
64.62 |
73.23 |
|
.png) |
S(1574) |
[O]OC1C=CCC=C1 |
111.12 |
|
1604. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
74.80
|
75.49
|
21.18 |
33.65 |
53.17 |
61.84 |
|
.png) |
C6H7(1604) |
[CH]1CC2C=CC12 |
79.12 |
|
1378. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
39.67
|
84.97
|
31.56 |
50.91 |
79.04 |
90.10 |
|
.png) |
S(1378) |
[CH]1C2C=CCC1OOC2 |
125.15 |
|
4526. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
48.94
|
95.85
|
35.71 |
54.81 |
79.37 |
89.14 |
|
.png) |
S(4526) |
[CH2]OOC1C=CC=CC1 |
125.15 |
|
4144. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
39.15
|
79.71
|
25.41 |
40.58 |
59.64 |
68.10 |
|
.png) |
S(4144) |
[O]C1C=CC=CC1 |
95.12 |
|
4549. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
17.65
|
91.00
|
29.20 |
42.27 |
60.15 |
67.25 |
|
.png) |
S(4549) |
[CH2]C=CC=CC=O |
95.12 |
|
4705. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
8.97
|
112.51
|
36.35 |
50.33 |
68.62 |
75.30 |
|
O[O](4705).png) |
S(4705) |
C=CC(C=CC=O)O[O] |
127.12 |
|
4706. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
7.31
|
109.97
|
36.06 |
50.76 |
69.12 |
76.66 |
|
O[O](4706).png) |
S(4706) |
C=CC=CC(C=O)O[O] |
127.12 |
|
4704. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
7.59
|
108.53
|
36.90 |
50.64 |
68.57 |
75.82 |
|
.png) |
S(4704) |
[O]OCC=CC=CC=O |
127.12 |
|
4626. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
16.07
|
61.39
|
27.01 |
50.41 |
63.42 |
72.74 |
|
.png) |
S(4626) |
[CH]1C=CC=COC1 |
95.12 |
|
4802. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-7.61
|
86.63
|
31.49 |
55.18 |
73.38 |
82.74 |
|
.png) |
S(4802) |
O=CC1C=C[CH]COO1 |
127.12 |
|
1025. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-2.74
|
78.57
|
30.79 |
53.13 |
81.43 |
94.73 |
|
.png) |
S(1025) |
[CH]1C=COCCCC1 |
111.16 |
|
4673. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-9.55
|
84.74
|
33.71 |
49.66 |
64.10 |
72.13 |
|
.png) |
S(4673) |
C=CC=CC=CO |
96.13 |
|
315. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
21.68
|
99.77
|
34.38 |
59.65 |
83.63 |
97.21 |
|
.png) |
S(315) |
OOC1C=CC[CH]CC1 |
127.16 |
|
5132. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
33.63
|
98.77
|
36.62 |
56.58 |
85.57 |
97.49 |
|
.png) |
S(5132) |
OOC1[CH]C2CC2CC1 |
127.16 |
|
5136. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.11
|
101.51
|
37.57 |
58.46 |
85.78 |
98.41 |
|
OO(5136).png) |
S(5136) |
[CH2]C1C=CC(CC1)OO |
127.16 |
|
5182. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-23.17
|
80.21
|
26.29 |
46.81 |
74.16 |
88.71 |
|
.png) |
S(5182) |
C1=CC2CCC1CO2 |
110.15 |
|
2249. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
9.75
|
98.59
|
35.20 |
51.36 |
65.24 |
73.70 |
|
OO1(2249).png) |
S(2249) |
[CH2]C1(C=CCO)OO1 |
115.11 |
|
4809. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.47
|
109.53
|
38.94 |
57.41 |
75.33 |
83.50 |
|
O[O](4809).png) |
S(4809) |
C=CC([CH]C=CO)O[O] |
128.13 |
|
5079. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.47
|
109.53
|
38.94 |
57.41 |
75.33 |
83.50 |
|
O[O](5079).png) |
S(5079) |
C=C[CH]C(C=CO)O[O] |
128.13 |
|
5331. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-38.07
|
90.70
|
34.96 |
54.37 |
74.40 |
83.33 |
|
.png) |
S(5331) |
OC=CC1C=CCOO1 |
128.13 |
|
5298. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-37.60
|
94.78
|
33.97 |
51.83 |
73.38 |
81.78 |
|
OO1(5298).png) |
S(5298) |
C=CC1C=CC(O)OO1 |
128.13 |
|
3716. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-6.90
|
82.87
|
25.07 |
38.56 |
56.77 |
65.67 |
|
.png) |
S(3716) |
OCC1C=CC1 |
84.12 |
|
1036. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-4.94
|
97.77
|
32.75 |
52.77 |
78.10 |
91.54 |
|
.png) |
S(1036) |
OC=CC1C[CH]CC1 |
111.16 |
|
1200. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.91
|
107.60
|
41.34 |
63.81 |
89.53 |
102.65 |
|
C1(1200).png) |
S(1200) |
[O]OC1CCC(C=CO)C1 |
143.16 |
|
5460. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-40.71
|
103.69
|
41.54 |
64.64 |
90.99 |
104.17 |
|
OO(5460).png) |
S(5460) |
OC=C[C]1CCC(C1)OO |
143.16 |
|
5599. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-65.63
|
123.10
|
50.89 |
75.30 |
101.26 |
114.03 |
|
CCC(C1)OO(5599).png) |
S(5599) |
[O]OC1(C=CO)CCC(C1)OO |
175.16 |
|
5600. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-59.10
|
128.70
|
49.23 |
71.42 |
100.63 |
112.03 |
|
C=C1CCC(C1)OO(5600).png) |
S(5600) |
[O]OC(O)C=C1CCC(C1)OO |
175.16 |
|
5547. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-48.80
|
106.29
|
40.11 |
60.31 |
87.90 |
97.31 |
|
OO(5547).png) |
S(5547) |
O=CC=C1CCC(C1)OO |
142.15 |
|
5397. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.46
|
120.92
|
37.31 |
51.67 |
71.46 |
79.72 |
|
C=CC([O])O(5397).png) |
S(5397) |
C=CC([O])C=CC([O])O |
128.13 |
|
5361. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.93
|
115.46
|
38.40 |
53.92 |
72.94 |
81.05 |
|
C=CO(5361).png) |
S(5361) |
[O]CC=CC([O])C=CO |
128.13 |
|
5164. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-11.34
|
109.60
|
42.97 |
70.69 |
95.06 |
108.32 |
|
OO(5164).png) |
S(5164) |
[O]OC1CC=CC(CC1)OO |
159.16 |